CHEBI:83795 - 3-oxodotriacontanoyl-CoA(4−)

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ChEBI Name 3-oxodotriacontanoyl-CoA(4−)
ChEBI ID CHEBI:83795
ChEBI ASCII Name 3-oxodotriacontanoyl-CoA(4-)
Definition A 3-oxo-fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxodotriacontanoyl-CoA (3-oxolacceroyl-CoA); major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C53H92N7O18P3S
Net Charge -4
Average Mass 1240.32200
Monoisotopic Mass 1239.54544
InChI InChI=1S/C53H96N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-41(61)36-44(63)82-35-34-55-43(62)32-33-56-51(66)48(65)53(2,3)38-75-81(72,73)78-80(70,71)74-37-42-47(77-79(67,68)69)46(64)52(76-42)60-40-59-45-49(54)57-39-58-50(45)60/h39-40,42,46-48,52,64-65H,4-38H2,1-3H3,(H,55,62)(H,56,66)(H,70,71)(H,72,73)(H2,54,57,58)(H2,67,68,69)/p-4/t42-,46-,47-,48+,52-/m1/s1
InChIKey VVJMBDPTYGWBEY-YQUCNGBHSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
ChEBI Ontology
Outgoing 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a 3-oxo-fatty acyl-CoA(4−) (CHEBI:57347)
3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is a ultra-long-chain fatty acyl-CoA(4−) (CHEBI:143018)
3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795) is conjugate base of 3-oxodotriacontanoyl-CoA (CHEBI:84584)
Incoming dotriacontanoate (CHEBI:76024) has functional parent 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795)
3-oxodotriacontanoyl-CoA (CHEBI:84584) is conjugate acid of 3-oxodotriacontanoyl-CoA(4−) (CHEBI:83795)
Synonyms Sources
3-ketodotriacontanoyl-CoA(4−) SUBMITTER
3-ketodotriacontanoyl-coenzyme A(4−) ChEBI
3-ketolacceroyl-CoA(4−) ChEBI
3-ketolacceroyl-coenzyme A(4−) ChEBI
3-oxo-C32:0-CoA(4−) SUBMITTER
3-oxo-dotriacontanoyl-CoA UniProt
3-oxodotriacontanoyl-coenzyme A(4−) ChEBI
3-oxolacceroyl-CoA(4−) ChEBI
3-oxolacceroyl-coenzyme A(4−) ChEBI
Last Modified
06 February 2019